Mon May 06 23:08:56.312 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:08:56.328 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\2\pdata\1
Mon May 06 23:08:56.343 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:08:56.359 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:08:56.359 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:08:56.390 CEST 2019: No HSQC data available
Mon May 06 23:08:56.406 CEST 2019: No C13 data available
Mon May 06 23:08:56.437 CEST 2019: No HMBC data available
Mon May 06 23:08:56.437 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:08:56.495 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Mon May 06 23:08:57.184 CEST 2019: Structure is used: true
Mon May 06 23:08:57.184 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/2/A02.mol
Mon May 06 23:08:57.200 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.68 s.
Mon May 06 23:08:57.215 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:08:57.231 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:08:57.247 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:08:57.247 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:08:57.262 CEST 2019: Spectrum is suppressed.
Mon May 06 23:08:57.262 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:08:57.278 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:08:57.294 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:08:57.309 CEST 2019: Expected impurity: TSP
Mon May 06 23:08:57.309 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:08:57.325 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp1, protonShiftLimitAPpm=2.4, protonShiftLimitBPpm=2.5, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon May 06 23:08:57.325 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp2, protonShiftLimitAPpm=2.7, protonShiftLimitBPpm=2.76, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon May 06 23:08:57.340 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 06 23:08:57.356 CEST 2019: RMSD noise: 681.744 (10.704/10.204)
Mon May 06 23:08:57.356 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:08:57.372 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:08:57.387 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon May 06 23:08:57.450 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:08:57.637 CEST 2019: Number of Peaks: (33, 11)
Mon May 06 23:08:57.653 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Mon May 06 23:08:57.669 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:08:57.669 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:08:57.684 CEST 2019: Signal-to-Noise ratio: 4331.12 (3.638 ppm)
Mon May 06 23:08:57.700 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:08:57.700 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:08:57.715 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.50 s.
Mon May 06 23:08:57.747 CEST 2019: Number of Multiplets: 52
Mon May 06 23:08:57.747 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 06 23:08:58.029 CEST 2019: Number of Peak Cluster: 13
Mon May 06 23:08:58.045 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.28 s.
Mon May 06 23:08:58.109 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Mon May 06 23:08:58.499 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.39 s.
Mon May 06 23:08:58.515 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:08:58.531 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:08:58.546 CEST 2019: Number of consistent PNS: 3
Mon May 06 23:08:58.562 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 06 23:08:58.562 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:08:58.809 CEST 2019: Number of ASL: 11
Mon May 06 23:08:58.809 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.23 s.
Mon May 06 23:08:58.950 CEST 2019: Elapsed time for evaluation (IN Suite): 0.12 s.
Mon May 06 23:08:59.325 CEST 2019: Elapsed time for evaluation (BU Suite): 0.34 s.
Mon May 06 23:08:59.356 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 06 23:08:59.356 CEST 2019: INCONSISTENT: Only invalid AssignmentSolutions.
Mon May 06 23:09:00.043 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.71 s.
Mon May 06 23:09:00.059 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:09:00.059 CEST 2019: CMC-q finished in 3.75 s.
